3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide

C12H18N2O3S — CID 81182424

IUPAC3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide
SMILESCc1cc(S(=O)(=O)CCC(=O)N(C)C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-9-8-10(4-5-11(9)13)18(16,17)7-6-12(15)14(2)3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyZKMPIUSLUOYRNX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.83
Rot. Bonds4

About 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide

3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide (PubChem CID 81182424) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide
PubChem CID81182424
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide
SMILESCc1cc(S(=O)(=O)CCC(=O)N(C)C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-9-8-10(4-5-11(9)13)18(16,17)7-6-12(15)14(2)3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyZKMPIUSLUOYRNX-UHFFFAOYSA-N
XLogP0.83
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
CID 81182333
4-(2-ethylsulfonylethylsulfonyl)-2-methylaniline
CID 81181679
4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
CID 81182264
4-(2-ethoxyethylsulfonyl)-2-methylaniline
CID 81181513
4-(3-ethoxypropylsulfonyl)-2-methylaniline
CID 81182343
4-[2-(2-methoxyethoxy)ethylsulfonyl]-2-methylaniline
CID 81182090
4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81180754
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
4-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81206613
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
4-benzylsulfonyl-2-methylaniline
CID 81182009
2-methyl-4-(3-phenoxypropylsulfonyl)aniline
CID 81184132

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide (CID 81182424) is 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide is Cc1cc(S(=O)(=O)CCC(=O)N(C)C)ccc1N.
What is the InChIKey of 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide?
The InChIKey is ZKMPIUSLUOYRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-10(4-5-11(9)13)18(16,17)7-6-12(15)14(2)3/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide?
3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide is sourced from PubChem (CID 81182424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).